ethyl 1-[2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetyl]piperidine-4-carboxylate

C23H32N4O6S — CID 5309159

IUPACethyl 1-[2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2c(C)nn(C)c2C)CC1
InChIInChI=1S/C23H32N4O6S/c1-6-33-23(29)18-11-13-26(14-12-18)21(28)15-27(19-7-9-20(32-5)10-8-19)34(30,31)22-16(2)24-25(4)17(22)3/h7-10,18H,6,11-15H2,1-5H3
InChIKeyREUSVMVNFRYEDV-UHFFFAOYSA-N
MW492.60 g/mol
LogP2.04
Rot. Bonds8

About ethyl 1-[2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetyl]piperidine-4-carboxylate

ethyl 1-[2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetyl]piperidine-4-carboxylate (PubChem CID 5309159) has the molecular formula C23H32N4O6S and a molecular weight of 492.60 g/mol. Its IUPAC name is ethyl 1-[2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetyl]piperidine-4-carboxylate
PubChem CID5309159
Molecular FormulaC23H32N4O6S
Molecular Weight492.60 g/mol
Exact Mass492.20
IUPAC Nameethyl 1-[2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2c(C)nn(C)c2C)CC1
InChIInChI=1S/C23H32N4O6S/c1-6-33-23(29)18-11-13-26(14-12-18)21(28)15-27(19-7-9-20(32-5)10-8-19)34(30,31)22-16(2)24-25(4)17(22)3/h7-10,18H,6,11-15H2,1-5H3
InChIKeyREUSVMVNFRYEDV-UHFFFAOYSA-N
XLogP2.04
TPSA111.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.60
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetyl]piperidine-4-carboxylate (CID 5309159) is ethyl 1-[2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2c(C)nn(C)c2C)CC1.
What is the InChIKey of ethyl 1-[2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetyl]piperidine-4-carboxylate?
The InChIKey is REUSVMVNFRYEDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O6S/c1-6-33-23(29)18-11-13-26(14-12-18)21(28)15-27(19-7-9-20(32-5)10-8-19)34(30,31)22-16(2)24-25(4)17(22)3/h7-10,18H,6,11-15H2,1-5H3.
What are the key properties of ethyl 1-[2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetyl]piperidine-4-carboxylate?
ethyl 1-[2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetyl]piperidine-4-carboxylate has a molecular weight of 492.60 g/mol, XLogP of 2.04, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetyl]piperidine-4-carboxylate is sourced from PubChem (CID 5309159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).